5-(2-cyclopentylpyridin-3-yl)sulfanyl-6-oxidanyl-2-pentyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-(2-cyclopentylpyridin-3-yl)sulfanyl-6-oxidanyl-2-pentyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(2-cyclopentyl-3-pyridyl)sulfanyl]-6-hydroxy-2-pentyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2-cyclopentyl-3-pyridinyl)thio]-6-hydroxy-2-pentyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-(2-cyclopentylpyridin-3-yl)sulfanyl-6-hydroxy-2-pentyl-2-phenyl-3H-pyran-4-one Traditional Name: 2-amyl-5-[(2-cyclopentyl-3-pyridyl)thio]-6-hydroxy-2-phenyl-3H-pyran-4-one Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=C(N=CC=C2)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=C(N=CC=C2)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31NO3S/c1-2-3-9-16-26(20-13-5-4-6-14-20)18-21(28)24(25(29)30-26)31-22-15-10-17-27-23(22)19-11-7-8-12-19/h4-6,10,13-15,17,19,29H,2-3,7-9,11-12,16,18H2,1H3